3-[5-oxidanidyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[5-oxidanidyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[5-oxido-3-(2-oxido-2-oxo-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[5-oxido-3-[(2-oxido-2-oxoethyl)thio]-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[5-oxido-3-(2-oxido-2-oxoethyl)sulfanyl-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[(2-keto-2-oxido-ethyl)thio]-5-oxido-1,2,4-triazin-6-yl]propionate Formula: C8H6N3O5S-3 MolecularWeight: 256.21534

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])C1=C(N=C(N=N1)SCC(=O)[O-])[O-]

Isomeric SMILES

C(CC(=O)[O-])C1=C(N=C(N=N1)SCC(=O)[O-])[O-]

InChI

InChI=1S/C8H9N3O5S/c12-5(13)2-1-4-7(16)9-8(11-10-4)17-3-6(14)15/h1-3H2,(H,12,13)(H,14,15)(H,9,11,16)/p-3